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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Thioethers (12)
Isothiocyanates (8)
Sulfoxides (6)
Sulfonyls (4)
Thioureas (4)
Allyl sulfur compounds (1)
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1 – 15 of 37 results
1

2-[N,N-Bis(trifluoromethylsulfonyl)amino]-5-chloropyridine, 99%

CAS: 145100-51-2 Molecular Formula: C7H3ClF6N2O4S2 Molecular Weight (g/mol): 392.671 MDL Number: MFCD00191833 InChI Key: TUFGVZMNGTYAQD-UHFFFAOYSA-N Synonym: 2-n,n-bis trifluoromethylsulphonyl amino-5-chloropyridine,2-n,n-bis trifluoromethanesulfonyl amino-5-chloropyridine,comins' reagent,n-5-chloro-2-pyridyl triflimide,2-n,n-bis trifluoromethylsulfonyl amino-5-chloropyridine,comins triflating reagent,n-5-chloro-2-pyridyl bis trifluoromethanesulfonimide,n-5-chloropyridin-2-yl-1,1,1-trifluoro-n-trifluoromethylsulfonyl methanesulfonamide,n-5-chloropyridin-2-yl triflimide,n-5-chloropyridin-2-yl-1,1,1-trifluoro-n-trifluoromethyl sulfonyl methanesulfonamide PubChem CID: 388544 IUPAC Name: N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide SMILES: C1=CC(=NC=C1Cl)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

PubChem CID 388544
CAS 145100-51-2
Molecular Weight (g/mol) 392.671
MDL Number MFCD00191833
SMILES C1=CC(=NC=C1Cl)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Synonym 2-n,n-bis trifluoromethylsulphonyl amino-5-chloropyridine,2-n,n-bis trifluoromethanesulfonyl amino-5-chloropyridine,comins' reagent,n-5-chloro-2-pyridyl triflimide,2-n,n-bis trifluoromethylsulfonyl amino-5-chloropyridine,comins triflating reagent,n-5-chloro-2-pyridyl bis trifluoromethanesulfonimide,n-5-chloropyridin-2-yl-1,1,1-trifluoro-n-trifluoromethylsulfonyl methanesulfonamide,n-5-chloropyridin-2-yl triflimide,n-5-chloropyridin-2-yl-1,1,1-trifluoro-n-trifluoromethyl sulfonyl methanesulfonamide
IUPAC Name N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI Key TUFGVZMNGTYAQD-UHFFFAOYSA-N
Molecular Formula C7H3ClF6N2O4S2
2

Isopropyl isothiocyanate, 97%

CAS: 2253-73-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00037830 InChI Key: VHBFEIBMZHEWSX-UHFFFAOYSA-N Synonym: isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya PubChem CID: 75263 IUPAC Name: 2-isothiocyanatopropane SMILES: CC(C)N=C=S

PubChem CID 75263
CAS 2253-73-8
Molecular Weight (g/mol) 101.167
MDL Number MFCD00037830
SMILES CC(C)N=C=S
Synonym isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya
IUPAC Name 2-isothiocyanatopropane
InChI Key VHBFEIBMZHEWSX-UHFFFAOYSA-N
Molecular Formula C4H7NS
3

2-Nitrophenyl isothiocyanate, 97%

CAS: 2719-30-4 Molecular Formula: C7H4N2O2S Molecular Weight (g/mol): 180.181 MDL Number: MFCD00007092 InChI Key: CBWJHIXSVFDERH-UHFFFAOYSA-N Synonym: 2-nitrophenyl isothiocyanate,benzene, isothiocyanatonitro,2-nitrobenzenisothiocyanate,2-nitrophenylisothiocyanate,o-nitrophenyl isothiocyanate,1-isothiocyanato-2-nitro-benzene,# PubChem CID: 137690 IUPAC Name: 1-isothiocyanato-2-nitrobenzene SMILES: C1=CC=C(C(=C1)N=C=S)[N+](=O)[O-]

PubChem CID 137690
CAS 2719-30-4
Molecular Weight (g/mol) 180.181
MDL Number MFCD00007092
SMILES C1=CC=C(C(=C1)N=C=S)[N+](=O)[O-]
Synonym 2-nitrophenyl isothiocyanate,benzene, isothiocyanatonitro,2-nitrobenzenisothiocyanate,2-nitrophenylisothiocyanate,o-nitrophenyl isothiocyanate,1-isothiocyanato-2-nitro-benzene,#
IUPAC Name 1-isothiocyanato-2-nitrobenzene
InChI Key CBWJHIXSVFDERH-UHFFFAOYSA-N
Molecular Formula C7H4N2O2S
4

1,1-Bis(methylthio)-2-nitroethylene, 99%

CAS: 13623-94-4 Molecular Formula: C4H7NO2S2 Molecular Weight (g/mol): 165.24 MDL Number: MFCD00010443 InChI Key: NXGHEDHQXXXTTP-UHFFFAOYSA-N Synonym: 1,1-bis methylthio-2-nitroethylene,1,1-bis methylsulfanyl-2-nitroethene,1,1-dimethylthio-2-nitroethylene,1-nitro-2,2-bis methylthio ethylene,ethene, 1,1-bis methylthio-2-nitro,1,1-bis methylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethene,1,1-dimethylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethylene PubChem CID: 83623 IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitroethene SMILES: CSC(=C[N+](=O)[O-])SC

PubChem CID 83623
CAS 13623-94-4
Molecular Weight (g/mol) 165.24
MDL Number MFCD00010443
SMILES CSC(=C[N+](=O)[O-])SC
Synonym 1,1-bis methylthio-2-nitroethylene,1,1-bis methylsulfanyl-2-nitroethene,1,1-dimethylthio-2-nitroethylene,1-nitro-2,2-bis methylthio ethylene,ethene, 1,1-bis methylthio-2-nitro,1,1-bis methylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethene,1,1-dimethylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethylene
IUPAC Name 1,1-bis(methylsulfanyl)-2-nitroethene
InChI Key NXGHEDHQXXXTTP-UHFFFAOYSA-N
Molecular Formula C4H7NO2S2
5

5,5'-Thiodisalicylic Acid 98.0+%, TCI America™

CAS: 1820-99-1 Molecular Formula: C14H10O6S Molecular Weight (g/mol): 306.288 MDL Number: MFCD00020264 InChI Key: DWMJRSPNFCPIQN-UHFFFAOYSA-N PubChem CID: 74562 IUPAC Name: 5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1SC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

PubChem CID 74562
CAS 1820-99-1
Molecular Weight (g/mol) 306.288
MDL Number MFCD00020264
SMILES C1=CC(=C(C=C1SC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
IUPAC Name 5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid
InChI Key DWMJRSPNFCPIQN-UHFFFAOYSA-N
Molecular Formula C14H10O6S
6

Thiourea, 99+%, for analysis

CAS: 62-56-6 Molecular Formula: CH4N2S Molecular Weight (g/mol): 76.12 MDL Number: MFCD00008067 InChI Key: UMGDCJDMYOKAJW-UHFFFAOYSA-N Synonym: thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio PubChem CID: 2723790 ChEBI: CHEBI:36946 IUPAC Name: thiourea SMILES: NC(N)=S

PubChem CID 2723790
CAS 62-56-6
Molecular Weight (g/mol) 76.12
ChEBI CHEBI:36946
MDL Number MFCD00008067
SMILES NC(N)=S
Synonym thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio
IUPAC Name thiourea
InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
Molecular Formula CH4N2S
7

Methyl thiocyanate, 99%

CAS: 556-64-9 Molecular Formula: C2H3NS Molecular Weight (g/mol): 73.113 MDL Number: MFCD00001830 InChI Key: VYHVQEYOFIYNJP-UHFFFAOYSA-N Synonym: methyl sulfocyanate,methylrhodanid,thiocyanic acid, methyl ester,methyl rhodanate,methylthiokyanat,methane, thiocyanato,thiocyanatomethane,methylthiocyanate,thiocyanic acid methyl ester,ch3scn PubChem CID: 11168 ChEBI: CHEBI:61112 IUPAC Name: methyl thiocyanate SMILES: CSC#N

PubChem CID 11168
CAS 556-64-9
Molecular Weight (g/mol) 73.113
ChEBI CHEBI:61112
MDL Number MFCD00001830
SMILES CSC#N
Synonym methyl sulfocyanate,methylrhodanid,thiocyanic acid, methyl ester,methyl rhodanate,methylthiokyanat,methane, thiocyanato,thiocyanatomethane,methylthiocyanate,thiocyanic acid methyl ester,ch3scn
IUPAC Name methyl thiocyanate
InChI Key VYHVQEYOFIYNJP-UHFFFAOYSA-N
Molecular Formula C2H3NS
8

2-Thiouracil, 99%, Thermo Scientific Chemicals

CAS: 141-90-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00006039 InChI Key: ZEMGGZBWXRYJHK-UHFFFAOYSA-N Synonym: 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine PubChem CID: 1269845 ChEBI: CHEBI:348530 IUPAC Name: 2-sulfanylidene-1H-pyrimidin-4-one SMILES: O=C1NC(=S)NC=C1

PubChem CID 1269845
CAS 141-90-2
Molecular Weight (g/mol) 128.15
ChEBI CHEBI:348530
MDL Number MFCD00006039
SMILES O=C1NC(=S)NC=C1
Synonym 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine
IUPAC Name 2-sulfanylidene-1H-pyrimidin-4-one
InChI Key ZEMGGZBWXRYJHK-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
9

p-Phenylene diisothiocyanate, 99%

CAS: 4044-65-9 Molecular Formula: C8H4N2S2 Molecular Weight (g/mol): 192.27 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S

PubChem CID 19958
CAS 4044-65-9
Molecular Weight (g/mol) 192.27
MDL Number MFCD00004811
SMILES C1=CC(=CC=C1N=C=S)N=C=S
Synonym bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate
IUPAC Name 1,4-diisothiocyanatobenzene
InChI Key OMWQUXGVXQELIX-UHFFFAOYSA-N
Molecular Formula C8H4N2S2
10

Thiourea, 99%, extra pure

CAS: 62-56-6 Molecular Formula: CH4N2S Molecular Weight (g/mol): 76.12 MDL Number: MFCD00008067 InChI Key: UMGDCJDMYOKAJW-UHFFFAOYSA-N Synonym: thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio PubChem CID: 2723790 ChEBI: CHEBI:36946 IUPAC Name: thiourea SMILES: NC(N)=S

PubChem CID 2723790
CAS 62-56-6
Molecular Weight (g/mol) 76.12
ChEBI CHEBI:36946
MDL Number MFCD00008067
SMILES NC(N)=S
Synonym thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio
IUPAC Name thiourea
InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
Molecular Formula CH4N2S
11

(Methylthio)acetonitrile, 99%

CAS: 35120-10-6 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00001925 InChI Key: ZRIGDBVSVFSVLL-UHFFFAOYSA-N Synonym: methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h PubChem CID: 99295 IUPAC Name: 2-methylsulfanylacetonitrile SMILES: CSCC#N

PubChem CID 99295
CAS 35120-10-6
Molecular Weight (g/mol) 87.14
MDL Number MFCD00001925
SMILES CSCC#N
Synonym methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h
IUPAC Name 2-methylsulfanylacetonitrile
InChI Key ZRIGDBVSVFSVLL-UHFFFAOYSA-N
Molecular Formula C3H5NS
12

2-(Methylthio)ethanol, 99%

CAS: 5271-38-5 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00002908 InChI Key: WBBPRCNXBQTYLF-UHFFFAOYSA-N Synonym: 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol PubChem CID: 78925 ChEBI: CHEBI:63861 IUPAC Name: 2-methylsulfanylethanol SMILES: CSCCO

PubChem CID 78925
CAS 5271-38-5
Molecular Weight (g/mol) 92.16
ChEBI CHEBI:63861
MDL Number MFCD00002908
SMILES CSCCO
Synonym 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol
IUPAC Name 2-methylsulfanylethanol
InChI Key WBBPRCNXBQTYLF-UHFFFAOYSA-N
Molecular Formula C3H8OS
13

2-(Methylthio)ethanol, 99%

CAS: 5271-38-5 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00002908 InChI Key: WBBPRCNXBQTYLF-UHFFFAOYSA-N Synonym: 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol PubChem CID: 78925 ChEBI: CHEBI:63861 IUPAC Name: 2-methylsulfanylethanol SMILES: CSCCO

PubChem CID 78925
CAS 5271-38-5
Molecular Weight (g/mol) 92.16
ChEBI CHEBI:63861
MDL Number MFCD00002908
SMILES CSCCO
Synonym 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol
IUPAC Name 2-methylsulfanylethanol
InChI Key WBBPRCNXBQTYLF-UHFFFAOYSA-N
Molecular Formula C3H8OS
14

Bis(trifluoromethanesulfonyl)imide, 99%

CAS: 82113-65-3 Molecular Formula: C2HF6NO4S2 Molecular Weight (g/mol): 281.16 MDL Number: MFCD00214154 InChI Key: ZXMGHDIOOHOAAE-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-n-trifluoromethyl sulfonyl methanesulfonamide,trifluoromethanesulfonimide,unii-c7r849vm9l,bis trifluoromethanesulfonyl imide,bistrifluoromethanesulfonimide,1,1,1-trifluoro-n-trifluoromethanesulfonylmethanesulfonamide,1,1,1-trifluoro-n-trifluoromethylsulfonyl methanesulfonamide,bis trifluoromethane sulfonimide,n,n-bis trifluoromethanesulfonyl imide,n,n-bis trifluoromethylsulphonyl amine PubChem CID: 157857 IUPAC Name: 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide SMILES: C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

PubChem CID 157857
CAS 82113-65-3
Molecular Weight (g/mol) 281.16
MDL Number MFCD00214154
SMILES C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
Synonym 1,1,1-trifluoro-n-trifluoromethyl sulfonyl methanesulfonamide,trifluoromethanesulfonimide,unii-c7r849vm9l,bis trifluoromethanesulfonyl imide,bistrifluoromethanesulfonimide,1,1,1-trifluoro-n-trifluoromethanesulfonylmethanesulfonamide,1,1,1-trifluoro-n-trifluoromethylsulfonyl methanesulfonamide,bis trifluoromethane sulfonimide,n,n-bis trifluoromethanesulfonyl imide,n,n-bis trifluoromethylsulphonyl amine
IUPAC Name 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI Key ZXMGHDIOOHOAAE-UHFFFAOYSA-N
Molecular Formula C2HF6NO4S2
15

4-(Methylthio)butanol, 99%

CAS: 20582-85-8 Molecular Formula: C5H12OS Molecular Weight (g/mol): 120.21 MDL Number: MFCD00002973 InChI Key: JNTVUHZXIJFHAU-UHFFFAOYSA-N Synonym: 4-methylthio-1-butanol,4-methylthio butanol,4-methylthiobutan-1-ol,unii-yl87ury6pc,4-methylsulfanyl-1-butanol,1-butanol, 4-methylthio,yl87ury6pc,4-methylthio butan-1-ol,4-methylsulfanyl butan-1-ol,4-methylthio-1-butanol, polymer-bound PubChem CID: 519793 SMILES: CSCCCCO

PubChem CID 519793
CAS 20582-85-8
Molecular Weight (g/mol) 120.21
MDL Number MFCD00002973
SMILES CSCCCCO
Synonym 4-methylthio-1-butanol,4-methylthio butanol,4-methylthiobutan-1-ol,unii-yl87ury6pc,4-methylsulfanyl-1-butanol,1-butanol, 4-methylthio,yl87ury6pc,4-methylthio butan-1-ol,4-methylsulfanyl butan-1-ol,4-methylthio-1-butanol, polymer-bound
InChI Key JNTVUHZXIJFHAU-UHFFFAOYSA-N
Molecular Formula C5H12OS